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22373-78-0

Basic Information
CAS No.: 22373-78-0
Name: Monensin sodium salt
Molecular Structure:
Molecular Structure of 22373-78-0 (Monensin sodium salt)
Formula: C36H61NaO11
Molecular Weight: 692.86
Synonyms: 1,6-Dioxaspiro[4.5]decane-7-butyricacid,2-[5-ethyltetrahydro-5-[tetrahydro-3-methyl-5-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-2-furyl]-2-furyl]-9-hydroxy-b-methoxy-a,g,2,8-tetramethyl-, monosodium salt (8CI);Monensin,monosodium salt (9CI);CRC Rumensin;Coban;Coban 45;Monensin A sodium salt;Monensin sodium;NSC 343257;Rumensin;Sodium monensin;Monensin, sodium salt(1:1);
EINECS: 244-941-7
Density:
Melting Point: 267-269 °C
Boiling Point: 766.3 °C at 760 mmHg
Flash Point: 229.2 °C
Solubility:
Appearance: light cream amorphous powder
Hazard Symbols: ToxicT, VeryT+
Risk Codes: 25-26/27/28
Safety: 36/37/39-45-22
Transport Information: UN 3462 6.1/PG 2
PSA: 165.43000
LogP: 2.87390
Downstream Products
2387-23-7
17090-79-8
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Specification

The IUPAC name of Monensin sodium is (2S,3R,4S)-4-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid. With the CAS registry number 22373-78-0, it is also named as Monensin sodium salt. The product's category is Organics, and the other registry number is 22136-43-2. Besides, it is light cream amorphous powder, which should be stored at 2-8 °C. In addition, its molecular formula is C36H61NaO11 and molecular weight is 692.86.

The other characteristics of this product can be summarized as: (1)EINECS: 244-941-7; (2)ACD/LogP: 3.72; (3)# of Rule of 5 Violations: 2; (4)ACD/LogD (pH 5.5): 2.45; (5)ACD/LogD (pH 7.4): 0.66; (6)ACD/BCF (pH 5.5): 21.09; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 134.37; (9)ACD/KOC (pH 7.4): 2.23; (10)#H bond acceptors: 11; (11)#H bond donors: 4; (12)#Freely Rotating Bonds: 13; (13)Polar Surface Area: 120.37 Å2; (14)Flash Point: 229.2 °C; (15)Melting Point: 267-269 °C; (16)alpha: 57.3 °(c=4.0, in MeOH); (17)Enthalpy of Vaporization: 127.25 kJ/mol; (18)Boiling Point: 766.3 °C at 760 mmHg; (19)Vapour Pressure: 4.13E-27 mmHg at 25 °C.

Uses of Monensin sodium: this chemical is an antiprotozoal agent produced by Streptomyces cinnamonensis. Similarly, it is a sodium and proton selective ionophore and is widely used as such in biochemical studies.

When you are using this chemical, please be cautious about it as the following: it is very Toxic by inhalation, in contact with skin and if swallowed. Please do not breathe dust. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].[O-]C(=O)C(C)[C@H](OC)[C@H](C)[C@H]5O[C@]1(O[C@@](C)(CC1)[C@@H]2O[C@@](CC)(CC2)[C@@H]4O[C@@H]([C@H]3O[C@@](O)(CO)[C@@H](C[C@@H]3C)C)C[C@@H]4C)C[C@H](O)[C@H]5C
(2)InChI: InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1
(3)InChIKey: XOIQMTLWECTKJL-DNJOVKTJBE

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cattle LD50 oral 26mg/kg (26mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of Animal Science. Vol. 58, Pg. 1512, 1984.
chicken LD50 oral 145mg/kg (145mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: MUSCLE WEAKNESS

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
MBI, Mediko Biologicheskaya Informatsiya. Medical-Biological Information. Vol. (3), Pg. 3, 1984.
dog LD50 oral > 10mg/kg (10mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of Animal Science. Vol. 58, Pg. 1512, 1984.
horse/donkey LD50 oral 2mg/kg (2mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of Animal Science. Vol. 58, Pg. 1512, 1984.
monkey LD50 oral > 160mg/kg (160mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of Animal Science. Vol. 58, Pg. 1512, 1984.
mouse LD50 oral 44mg/kg (44mg/kg)   Journal of Antibiotics. Vol. 36, Pg. 1195, 1983.
pig LD50 oral 17mg/kg (17mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of Animal Science. Vol. 58, Pg. 1512, 1984.
rabbit LD50 oral 42mg/kg (42mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of Animal Science. Vol. 58, Pg. 1512, 1984.
rat LD50 oral 29mg/kg (29mg/kg) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of Animal Science. Vol. 58, Pg. 1512, 1984.